SCHEMBL7415701

SCHEMBL7415701

CNc1ccc(C2(C(=O)c3cccnc3)CC2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 3/20 0.41
PRKCI P41743 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
SIRT4 Q9Y6E7 1/20 0.38
BACE1 P56817 1/20 0.38
CFTR P13569 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7417420 0.82 MAPT (0.52) POLBSMN1; SMN2ALDH1A1
SCHEMBL7413719 0.79 F7 (0.47) HDAC1HDAC3HDAC2TSHRALDH1A1
SCHEMBL8032987 0.76 PRKCI (0.53) HDAC3PRKCI
SCHEMBL7418585 0.75 PLOD2 (0.39) HDAC1HDAC3HDAC2TSHRALDH1A1
SCHEMBL7416558 0.74 ALDH1A1 (0.53) HDAC1ALDH1A1F7F3SARM1
SCHEMBL7409714 0.73 ALDH1A1 (0.39) POLBTSHRALDH1A1
SCHEMBL7416926 0.70 MAPT (0.50) POLBSMN1; SMN2ALDH1A1
SCHEMBL7412060 0.69 MAPT (0.55) POLBALDH1A1
SCHEMBL7412365 0.69 PRKCI (0.42) HDAC1HDAC3HDAC2PRKCIALDH1A1
SCHEMBL7410812 0.69 HSD11B1 (0.52) HDAC1HDAC3HDAC2PRKCITSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1152866-C Benzimidazoles, production thereof and use thereof medicaments ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-09 CN disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
CN-1308614-A Benzimidazoles, production thereof and use thereof medicaments BOEHRINGER INGELHEIM PHAMA KG (DE) 2001-08-15 CN disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed